[2-[2-[(E)-dimethylaminomethylideneamino]-3-methyl-4-oxidanylidene-pteridin-6-yl]-2-oxidanylidene-ethyl] N,N-dimethylcarbamodithioate

Systemtic Name: [2-[2-[(E)-dimethylaminomethylideneamino]-3-methyl-4-oxidanylidene-pteridin-6-yl]-2-oxidanylidene-ethyl] N,N-dimethylcarbamodithioate Openeye Name: [2-[2-[(E)-dimethylaminomethyleneamino]-3-methyl-4-oxo-pteridin-6-yl]-2-oxo-ethyl] N,N-dimethylcarbamodithioate CAS Name: N,N-dimethylcarbamodithioic acid [2-[2-[(E)-dimethylaminomethylideneamino]-3-methyl-4-oxo-6-pteridinyl]-2-oxoethyl] ester IUPAC Name: [2-[2-[(E)-dimethylaminomethylideneamino]-3-methyl-4-oxopteridin-6-yl]-2-oxoethyl] N,N-dimethylcarbamodithioate Traditional Name: N,N-dimethylcarbamodithioic acid [2-[2-[(E)-dimethylaminomethyleneamino]-4-keto-3-methyl-pteridin-6-yl]-2-keto-ethyl] ester Formula: C15H19N7O2S2 MolecularWeight: 393.48706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=NC(=CN=C2N=C1N=CN(C)C)C(=O)CSC(=S)N(C)C

Isomeric SMILES

CN1C(=O)C2=NC(=CN=C2N=C1/N=C/N(C)C)C(=O)CSC(=S)N(C)C

InChI

InChI=1S/C15H19N7O2S2/c1-20(2)8-17-14-19-12-11(13(24)22(14)5)18-9(6-16-12)10(23)7-26-15(25)21(3)4/h6,8H,7H2,1-5H3/b17-8+